UCSF

ZINC36987476

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2009 18 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.07 4.68 -36.05 4 3 1 61 261.267 6
Hi High (pH 8-9.5) 0.16 4.89 -9.99 4 3 0 61 260.259 6

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )